1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

C14H20N6O3S — CID 47041234

IUPAC1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
SMILESCN(CCCNC(=O)Nc1cccnc1-n1cccn1)S(C)(=O)=O
InChIInChI=1S/C14H20N6O3S/c1-19(24(2,22)23)10-4-8-16-14(21)18-12-6-3-7-15-13(12)20-11-5-9-17-20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,16,18,21)
InChIKeyRPPRGALPNFGLDF-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.67
Rot. Bonds7

About 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 47041234) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
PubChem CID47041234
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC Name1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
SMILESCN(CCCNC(=O)Nc1cccnc1-n1cccn1)S(C)(=O)=O
InChIInChI=1S/C14H20N6O3S/c1-19(24(2,22)23)10-4-8-16-14(21)18-12-6-3-7-15-13(12)20-11-5-9-17-20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,16,18,21)
InChIKeyRPPRGALPNFGLDF-UHFFFAOYSA-N
XLogP0.67
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(N-methylanilino)propyl]-3-(2-pyrazol-1-ylphenyl)urea
CID 52626682
1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 51116547
1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 78879904
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 107909063
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
2-amino-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714225
1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 78879907
1-(3-butoxypropyl)-3-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 60616709
1-(2-cyclopentylsulfanylphenyl)-3-[3-[methyl(methylsulfonyl)amino]propyl]urea
CID 47033925
7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
3-amino-2,2-dimethyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 115426322

Frequently Asked Questions

What is the IUPAC name of 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (CID 47041234) is 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is CN(CCCNC(=O)Nc1cccnc1-n1cccn1)S(C)(=O)=O.
What is the InChIKey of 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The InChIKey is RPPRGALPNFGLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-19(24(2,22)23)10-4-8-16-14(21)18-12-6-3-7-15-13(12)20-11-5-9-17-20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,16,18,21).
What are the key properties of 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 352.42 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(methylsulfonyl)amino]propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 47041234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).